6-[(4S)-4-(3-methoxy-2-propoxy-phenyl)-3-methyl-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate

Systemtic Name: 6-[(4S)-4-(3-methoxy-2-propoxy-phenyl)-3-methyl-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Openeye Name: 6-[(4S)-4-(3-methoxy-2-propoxy-phenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate CAS Name: 6-[(4S)-4-(3-methoxy-2-propoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4S)-4-(3-methoxy-2-propoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4S)-6-keto-4-(3-methoxy-2-propoxy-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C21H22N5O4- MolecularWeight: 408.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)C2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)[C@H]2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C

InChI

InChI=1S/C21H23N5O4/c1-4-10-30-20-13(6-5-7-15(20)29-3)14-11-18(28)22-21-19(14)12(2)25-26(21)16-8-9-17(27)24-23-16/h5-9,14,25H,4,10-11H2,1-3H3,(H,24,27)/p-1/t14-/m1/s1